#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwe s SER 2 N 0.00 6.67 0.19 1.61 1.04 -1.26 -4.01 113.70 117.94 2uwe s SER 2 Ca 0.00 1.76 0.02 0.00 0.48 0.00 0.00 55.95 58.21 2uwe s SER 2 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2uwe s SER 2 CO 0.00 -0.55 0.01 -1.00 0.98 0.00 0.00 173.24 172.68 2uwe s HIS 3 N -2.16 1.27 0.05 5.02 3.76 -0.41 -4.96 115.29 117.86 2uwe s HIS 3 Ca 0.64 -1.03 -0.04 0.00 -0.15 0.00 0.00 55.06 54.48 2uwe s HIS 3 Cb -0.12 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 2uwe s HIS 3 CO 0.18 -0.21 0.05 -1.54 -0.85 0.00 0.00 174.74 172.37 2uwe s SER 4 N -3.20 0.28 -0.06 1.40 1.04 -1.26 -0.50 113.70 111.40 2uwe s SER 4 Ca 0.26 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 56.02 2uwe s SER 4 Cb 0.06 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2uwe s SER 4 CO 0.05 -0.54 -0.13 -0.32 0.98 0.00 0.00 173.24 173.28 2uwe s MET 5 N -3.06 1.77 0.01 4.02 -2.45 -0.52 -0.89 119.30 118.18 2uwe s MET 5 Ca -0.01 -0.45 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 2uwe s MET 5 Cb 0.02 -1.46 -0.01 0.00 1.25 0.00 0.00 34.83 34.63 2uwe s MET 5 CO -0.07 0.06 -0.06 1.03 1.05 0.00 0.00 175.02 177.02 2uwe s ARG 6 N 0.58 0.50 -0.09 4.11 1.81 -0.44 -1.75 118.95 123.67 2uwe s ARG 6 Ca -0.14 -0.32 0.03 0.00 -1.72 0.00 0.00 55.73 53.57 2uwe s ARG 6 Cb -0.15 -0.45 -0.01 0.00 -0.45 0.00 0.00 34.95 33.88 2uwe s ARG 6 CO 0.04 0.12 -0.18 0.71 -0.68 0.00 0.00 175.30 175.31 2uwe s TYR 7 N -0.38 2.66 -0.10 -0.53 2.02 -0.24 -0.21 117.35 120.56 2uwe s TYR 7 Ca 0.00 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.11 2uwe s TYR 7 Cb -0.04 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2uwe s TYR 7 CO -0.00 -0.16 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.53 2uwe s PHE 8 N 0.00 2.59 -0.11 2.71 0.40 0.41 -2.50 117.98 121.48 2uwe s PHE 8 Ca -0.06 -1.02 0.01 0.00 -0.60 0.00 0.00 56.93 55.27 2uwe s PHE 8 Cb -0.15 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.67 2uwe s PHE 8 CO 0.05 -0.41 -0.15 -0.06 0.70 0.00 0.00 175.22 175.35 2uwe s PHE 9 N 0.36 1.97 -0.12 0.36 0.08 0.45 -1.18 117.98 119.89 2uwe s PHE 9 Ca -0.18 -0.95 0.03 0.00 0.12 0.00 0.00 56.93 55.95 2uwe s PHE 9 Cb -0.18 -1.43 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 2uwe s PHE 9 CO 0.08 -0.50 -0.21 0.99 -0.10 0.00 0.00 175.22 175.48 2uwe s THR 10 N 1.08 2.29 -0.14 0.64 2.01 0.12 -1.01 115.64 120.63 2uwe s THR 10 Ca -0.05 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.04 2uwe s THR 10 Cb -0.15 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.47 2uwe s THR 10 CO -0.03 0.55 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.75 2uwe s SER 11 N 0.50 2.62 -0.18 3.53 0.15 0.32 -0.76 113.70 119.88 2uwe s SER 11 Ca -0.14 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.05 2uwe s SER 11 Cb -0.17 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 2uwe s SER 11 CO 0.05 -0.04 -0.18 -0.69 1.20 0.00 0.00 173.24 173.58 2uwe s VAL 12 N 1.38 1.96 0.35 4.45 1.01 0.36 -0.35 120.40 129.56 2uwe s VAL 12 Ca 0.02 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2uwe s VAL 12 Cb -0.13 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 2uwe s VAL 12 CO -0.09 0.50 1.24 -0.94 0.00 0.00 0.00 175.10 175.82 2uwe s SER 13 N 1.32 6.69 -0.29 3.32 1.04 -0.40 -0.71 113.70 124.68 2uwe s SER 13 Ca 0.04 2.54 0.02 0.00 0.48 0.00 0.00 55.95 59.03 2uwe s SER 13 Cb -0.13 -2.64 0.08 0.00 0.10 0.00 0.00 66.02 63.43 2uwe s SER 13 CO -0.12 -0.57 0.01 -0.13 0.98 0.00 0.00 173.24 173.41 2uwe s ARG 14 N -1.95 1.39 0.20 4.02 0.52 -1.26 -4.23 118.95 117.65 2uwe s ARG 14 Ca 0.52 -1.31 -0.20 0.00 -0.52 0.00 0.00 55.73 54.22 2uwe s ARG 14 Cb -0.36 -2.66 0.17 0.00 0.52 0.00 0.00 34.95 32.61 2uwe s ARG 14 CO 0.47 -0.80 1.57 -1.35 0.02 0.00 0.00 175.30 175.21 2uwe h PRO 15 N 7.87 -0.09 0.00 3.54 0.11 -1.87 -2.40 132.00 139.16 2uwe h PRO 15 Ca -0.12 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 2uwe h PRO 15 Cb 1.04 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2uwe h PRO 15 CO 0.46 -0.06 -0.36 0.78 -0.21 0.00 0.00 178.00 178.61 2uwe h GLY 16 N -0.09 0.00 -1.10 -0.55 0.00 -1.96 -3.47 103.07 95.89 2uwe h GLY 16 Ca 0.28 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.15 2uwe h GLY 16 CO -0.81 0.00 0.24 0.50 0.00 0.00 0.00 176.54 176.46 2uwe s ARG 17 N -3.08 2.06 0.05 4.80 1.81 -0.90 -5.02 118.95 118.67 2uwe s ARG 17 Ca 0.05 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.80 2uwe s ARG 17 Cb 0.07 -2.15 -0.24 0.00 -0.45 0.00 0.00 34.95 32.17 2uwe s ARG 17 CO 0.72 -1.33 1.01 0.78 -0.68 0.00 0.00 175.30 175.80 2uwe h GLY 18 N -0.67 0.11 -4.07 -3.53 0.00 -1.91 -3.47 103.07 89.52 2uwe h GLY 18 Ca -0.44 -0.27 -0.44 0.00 0.00 0.00 0.00 47.33 46.18 2uwe h GLY 18 CO 0.58 0.24 -0.78 -1.83 0.00 0.00 0.00 176.54 174.75 2uwe s GLU 19 N -2.65 0.96 0.87 4.80 -1.05 -1.26 -5.09 118.70 115.27 2uwe s GLU 19 Ca -0.04 -1.11 -0.12 0.00 -0.15 0.00 0.00 54.97 53.56 2uwe s GLU 19 Cb 0.08 -0.96 0.11 0.00 -0.44 0.00 0.00 34.13 32.93 2uwe s GLU 19 CO 0.84 0.20 1.15 -2.14 0.95 0.00 0.00 175.26 176.26 2uwe s PRO 20 N -2.15 1.49 -0.18 -4.83 0.02 -1.26 -4.59 135.00 123.49 2uwe s PRO 20 Ca 0.04 0.24 -0.19 0.00 0.02 0.00 0.00 61.00 61.11 2uwe s PRO 20 Cb -0.08 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2uwe s PRO 20 CO 0.03 -1.95 0.53 0.50 -0.33 0.00 0.00 177.00 175.78 2uwe s ARG 21 N -5.38 4.22 -0.13 5.54 6.06 0.11 -4.92 118.95 124.45 2uwe s ARG 21 Ca 0.63 0.46 0.03 0.00 -2.50 0.00 0.00 55.73 54.34 2uwe s ARG 21 Cb -0.13 -3.54 0.01 0.00 0.06 0.00 0.00 34.95 31.34 2uwe s ARG 21 CO 0.52 -0.11 -0.22 0.12 -2.50 0.00 0.00 175.30 173.11 2uwe s PHE 22 N 1.49 2.66 -0.10 5.12 5.36 -1.26 -0.49 117.98 130.76 2uwe s PHE 22 Ca 0.25 -1.29 0.01 0.00 -0.96 0.00 0.00 56.93 54.95 2uwe s PHE 22 Cb -0.15 -1.80 0.02 0.00 -0.34 0.00 0.00 43.02 40.74 2uwe s PHE 22 CO 0.10 -0.58 -0.13 0.42 -1.46 0.00 0.00 175.22 173.57 2uwe s ILE 23 N 0.74 1.31 -0.09 3.12 1.01 0.06 -1.33 121.20 126.03 2uwe s ILE 23 Ca -0.09 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2uwe s ILE 23 Cb -0.16 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 2uwe s ILE 23 CO -0.00 0.41 -0.23 0.00 0.00 0.00 0.00 174.94 175.11 2uwe s ALA 24 N 1.09 2.21 0.04 9.38 0.00 0.28 -0.71 121.76 134.06 2uwe s ALA 24 Ca -0.05 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2uwe s ALA 24 Cb -0.14 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2uwe s ALA 24 CO -0.02 0.33 -0.11 0.14 0.00 0.00 0.00 175.76 176.10 2uwe s VAL 25 N 0.18 0.84 -0.03 0.00 -7.23 -0.33 0.15 120.40 113.99 2uwe s VAL 25 Ca -0.13 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2uwe s VAL 25 Cb -0.16 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 2uwe s VAL 25 CO 0.07 -0.11 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.68 2uwe s GLY 26 N -1.16 1.30 -0.00 2.32 0.00 -0.78 -0.45 107.32 108.55 2uwe s GLY 26 Ca -0.02 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2uwe s GLY 26 CO 0.01 -0.86 -0.21 -0.19 0.00 0.00 0.00 173.10 171.85 2uwe s TYR 27 N -0.54 1.86 -0.28 1.90 1.51 0.70 -1.07 117.35 121.44 2uwe s TYR 27 Ca 0.08 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2uwe s TYR 27 Cb -0.11 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2uwe s TYR 27 CO -0.00 -0.00 0.01 0.08 -1.11 0.00 0.00 175.55 174.53 2uwe s VAL 28 N -0.56 3.39 0.00 0.71 1.01 0.22 -1.33 120.40 123.84 2uwe s VAL 28 Ca 0.08 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2uwe s VAL 28 Cb -0.08 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2uwe s VAL 28 CO -0.00 0.11 0.00 0.47 0.00 0.00 0.00 175.10 175.68 2uwe n ASP 29 N 4.76 0.00 -0.74 3.32 8.00 -0.07 -1.59 116.55 130.23 2uwe n ASP 29 Ca -0.15 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.42 2uwe n ASP 29 Cb 0.47 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.72 2uwe n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2uwe n ASP 30 N 9.07 2.88 -4.49 -2.24 8.00 -1.26 -4.93 116.55 123.58 2uwe n ASP 30 Ca 0.00 -1.88 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 2uwe n ASP 30 Cb 0.00 -0.21 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 2uwe n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2uwe s THR 31 N -1.05 4.24 0.14 -3.53 2.01 -0.62 -5.06 115.64 111.76 2uwe s THR 31 Ca 0.26 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 2uwe s THR 31 Cb 0.14 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 2uwe s THR 31 CO 0.19 0.41 1.01 -1.58 -0.69 0.00 0.00 174.62 173.96 2uwe s GLN 32 N 1.03 4.67 0.00 4.92 0.74 -1.26 -0.61 119.66 129.15 2uwe s GLN 32 Ca 0.03 1.54 0.00 0.00 0.05 0.00 0.00 55.36 56.98 2uwe s GLN 32 Cb -0.14 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.63 2uwe s GLN 32 CO 0.02 0.18 0.00 1.97 -0.55 0.00 0.00 175.29 176.92 2uwe n PHE 33 N 2.61 0.00 -4.08 1.67 -1.74 -0.23 -4.02 117.46 111.66 2uwe n PHE 33 Ca 0.02 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.79 2uwe n PHE 33 Cb 0.48 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.37 2uwe n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2uwe s VAL 34 N -1.51 0.53 -0.01 1.97 -7.23 -1.22 -0.01 120.40 112.92 2uwe s VAL 34 Ca 0.00 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 58.80 2uwe s VAL 34 Cb 0.00 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 36.09 2uwe s VAL 34 CO 0.00 -0.53 0.17 0.00 -0.31 0.00 0.00 175.10 174.43 2uwe s ARG 35 N -2.17 0.48 -0.04 4.82 1.04 -0.53 -1.87 118.95 120.67 2uwe s ARG 35 Ca -0.05 -0.28 0.02 0.00 -1.04 0.00 0.00 55.73 54.38 2uwe s ARG 35 Cb -0.06 0.20 0.01 0.00 -2.04 0.00 0.00 34.95 33.07 2uwe s ARG 35 CO -0.01 -0.11 -0.07 0.12 -0.04 0.00 0.00 175.30 175.18 2uwe s PHE 36 N -1.18 0.90 -0.10 5.89 5.36 0.12 -0.71 117.98 128.27 2uwe s PHE 36 Ca -0.13 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 2uwe s PHE 36 Cb -0.06 -0.70 0.02 0.00 -0.34 0.00 0.00 43.02 41.94 2uwe s PHE 36 CO 0.02 -0.15 -0.09 0.34 -1.46 0.00 0.00 175.22 173.88 2uwe s ASP 37 N 0.51 2.08 0.61 6.13 2.15 -1.26 -0.56 116.67 126.33 2uwe s ASP 37 Ca -0.08 -0.30 0.40 0.00 0.43 0.00 0.00 52.55 53.00 2uwe s ASP 37 Cb -0.11 -0.84 2.05 0.00 -0.30 0.00 0.00 42.92 43.72 2uwe s ASP 37 CO 0.01 -0.08 2.21 0.77 -0.17 0.00 0.00 175.17 177.91 2uwe h SER 38 N 7.89 0.00 0.59 -0.34 4.64 -1.60 -2.47 113.55 122.26 2uwe h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2uwe h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2uwe h SER 38 CO 0.43 0.00 -1.06 0.47 -0.87 0.00 0.00 176.83 175.80 2uwe n ASP 39 N -3.00 0.62 -4.78 4.97 9.92 -1.26 -4.95 116.55 118.07 2uwe n ASP 39 Ca -0.02 -0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 53.89 2uwe n ASP 39 Cb 0.13 0.74 0.03 0.00 -0.64 0.00 0.00 41.12 41.38 2uwe n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2uwe s ALA 40 N -3.26 2.57 0.25 2.24 0.00 -0.93 -4.97 121.76 117.66 2uwe s ALA 40 Ca 0.02 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 2uwe s ALA 40 Cb 0.13 -3.32 0.29 0.00 0.00 0.00 0.00 23.12 20.23 2uwe s ALA 40 CO 0.80 -1.06 1.67 0.00 0.00 0.00 0.00 175.76 177.17 2uwe h ALA 41 N 0.43 0.98 -0.47 0.00 0.00 -1.92 -3.29 119.26 114.98 2uwe h ALA 41 Ca -0.48 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2uwe h ALA 41 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2uwe h ALA 41 CO 0.55 0.60 0.22 0.66 0.00 0.00 0.00 179.25 181.28 2uwe h SER 42 N 0.53 0.59 -4.88 0.00 4.64 -1.93 -3.46 113.55 109.04 2uwe h SER 42 Ca 0.07 -0.05 -0.40 0.00 -0.47 0.00 0.00 61.79 60.95 2uwe h SER 42 Cb 0.72 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2uwe h SER 42 CO 0.06 0.51 -0.59 0.00 -0.87 0.00 0.00 176.83 175.93 2uwe n GLN 43 N -4.38 -4.44 -3.99 4.77 1.13 -1.24 -4.98 117.38 104.25 2uwe n GLN 43 Ca 0.04 0.75 -0.08 0.00 -1.94 0.00 0.00 57.00 55.76 2uwe n GLN 43 Cb 0.13 -5.56 -0.09 0.00 0.11 0.00 0.00 30.24 24.83 2uwe n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2uwe s ARG 44 N -5.84 0.67 0.25 -1.09 0.52 -1.26 -5.05 118.95 107.15 2uwe s ARG 44 Ca 0.35 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 2uwe s ARG 44 Cb -0.17 0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.46 2uwe s ARG 44 CO 0.43 -0.16 1.40 1.41 0.02 0.00 0.00 175.30 178.39 2uwe s MET 45 N -3.62 4.30 0.03 3.54 -2.45 -1.26 -4.73 119.30 115.12 2uwe s MET 45 Ca 0.04 2.24 0.09 0.00 -1.25 0.00 0.00 55.69 56.81 2uwe s MET 45 Cb 0.05 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.98 2uwe s MET 45 CO -0.09 -0.36 -0.26 -1.21 1.05 0.00 0.00 175.02 174.15 2uwe s GLU 46 N -0.50 1.87 0.34 4.11 2.02 0.11 -4.94 118.70 121.71 2uwe s GLU 46 Ca 0.57 -1.07 -0.27 0.00 0.02 0.00 0.00 54.97 54.22 2uwe s GLU 46 Cb -0.40 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 2uwe s GLU 46 CO 0.43 0.52 1.18 -1.25 0.02 0.00 0.00 175.26 176.16 2uwe s PRO 47 N -1.16 4.33 0.00 0.39 0.04 -1.26 -1.46 135.00 135.89 2uwe s PRO 47 Ca 0.12 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2uwe s PRO 47 Cb -0.10 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2uwe s PRO 47 CO 0.02 -0.10 0.59 0.54 0.04 0.00 0.00 177.00 178.09 2uwe n ARG 48 N 0.62 0.85 -4.03 4.56 5.12 0.99 -4.85 116.66 119.92 2uwe n ARG 48 Ca 0.01 -0.76 -0.12 0.00 -1.93 0.00 0.00 57.85 55.06 2uwe n ARG 48 Cb 0.45 -0.75 -0.12 0.00 -1.16 0.00 0.00 32.46 30.88 2uwe n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2uwe s ALA 49 N -0.34 0.35 0.24 7.54 0.00 -1.22 -4.62 121.76 123.70 2uwe s ALA 49 Ca 0.00 -0.56 0.23 0.00 0.00 0.00 0.00 51.96 51.63 2uwe s ALA 49 Cb 0.00 0.05 0.99 0.00 0.00 0.00 0.00 23.12 24.16 2uwe s ALA 49 CO 0.00 -0.05 1.87 -1.35 0.00 0.00 0.00 175.76 176.23 2uwe h PRO 50 N 4.93 0.00 0.00 0.00 0.11 -1.94 -3.11 132.00 131.99 2uwe h PRO 50 Ca -0.32 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 2uwe h PRO 50 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2uwe h PRO 50 CO 0.43 0.25 -0.19 0.11 -0.21 0.00 0.00 178.00 178.39 2uwe h TRP 51 N 0.00 0.00 0.00 0.65 5.08 -1.97 -3.17 115.95 116.53 2uwe h TRP 51 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2uwe h TRP 51 Cb 0.67 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 2uwe h TRP 51 CO 0.00 0.19 -0.08 0.97 -1.28 0.00 0.00 178.44 178.24 2uwe h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.89 -3.32 117.51 118.50 2uwe h ILE 52 Ca -0.00 -0.67 -0.01 0.00 -1.37 0.00 0.00 64.86 62.81 2uwe h ILE 52 Cb 1.10 1.62 -0.00 0.00 0.47 0.00 0.00 36.82 40.01 2uwe h ILE 52 CO 0.02 0.00 -0.06 -0.33 -3.07 0.00 0.00 178.15 174.72 2uwe h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.64 -2.70 114.58 117.51 2uwe h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uwe h GLU 53 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2uwe h GLU 53 CO 0.00 0.06 0.00 -0.56 -1.00 0.00 0.00 179.01 177.51 2uwe h GLN 54 N 0.00 0.00 -6.82 2.33 3.07 -1.77 -3.44 115.11 108.48 2uwe h GLN 54 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 2uwe h GLN 54 Cb 0.11 0.00 0.07 0.00 0.08 0.00 0.00 27.48 27.74 2uwe h GLN 54 CO 0.01 0.00 0.76 -1.21 0.09 0.00 0.00 178.83 178.48 2uwe s GLU 55 N -3.68 4.23 1.17 0.06 0.41 -1.02 -5.01 118.70 114.86 2uwe s GLU 55 Ca 0.01 2.38 -0.19 0.00 -0.41 0.00 0.00 54.97 56.75 2uwe s GLU 55 Cb 0.09 -3.06 0.28 0.00 -1.78 0.00 0.00 34.13 29.66 2uwe s GLU 55 CO 0.50 -0.43 1.18 0.20 -0.49 0.00 0.00 175.26 176.22 2uwe s GLY 56 N 0.13 1.65 0.48 -1.39 0.00 -1.26 -4.85 107.32 102.08 2uwe s GLY 56 Ca 0.57 -1.13 0.25 0.00 0.00 0.00 0.00 44.72 44.41 2uwe s GLY 56 CO 0.49 -0.22 1.95 -2.55 0.00 0.00 0.00 173.10 172.77 2uwe h PRO 57 N -2.44 0.00 -0.50 2.90 0.11 -1.98 -2.43 132.00 127.66 2uwe h PRO 57 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 2uwe h PRO 57 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2uwe h PRO 57 CO 0.30 0.19 -0.08 0.93 -0.21 0.00 0.00 178.00 179.13 2uwe h GLU 58 N 0.00 0.91 0.02 1.05 4.39 -1.98 0.13 114.58 119.09 2uwe h GLU 58 Ca -0.00 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2uwe h GLU 58 Cb 0.54 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2uwe h GLU 58 CO 0.02 0.95 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.90 2uwe h TYR 59 N 0.82 -0.02 -0.21 4.33 3.20 -1.79 -1.88 116.97 121.43 2uwe h TYR 59 Ca 0.14 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 2uwe h TYR 59 Cb 0.60 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2uwe h TYR 59 CO 0.04 0.03 -0.49 -1.49 -1.64 0.00 0.00 178.16 174.60 2uwe h TRP 60 N -0.06 0.68 -0.51 -3.82 4.06 -1.36 -0.90 115.95 114.04 2uwe h TRP 60 Ca -0.00 -0.22 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 2uwe h TRP 60 Cb 0.06 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 2uwe h TRP 60 CO -0.06 0.94 0.26 -0.44 -3.56 0.00 0.00 178.44 175.57 2uwe h ASP 61 N 0.44 0.65 -0.28 -3.49 3.32 -0.77 -1.84 116.42 114.45 2uwe h ASP 61 Ca 0.02 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 2uwe h ASP 61 Cb 1.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2uwe h ASP 61 CO 0.09 0.58 0.03 1.23 -1.72 0.00 0.00 179.24 179.45 2uwe h GLY 62 N 0.68 0.51 1.76 2.75 0.00 -1.07 -1.38 103.07 106.32 2uwe h GLY 62 Ca 0.18 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2uwe h GLY 62 CO -0.03 0.33 -0.26 0.83 0.00 0.00 0.00 176.54 177.42 2uwe h GLU 63 N 0.28 0.28 0.11 4.80 4.39 -1.19 -1.55 114.58 121.70 2uwe h GLU 63 Ca 0.08 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2uwe h GLU 63 Cb 0.38 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2uwe h GLU 63 CO 0.01 0.52 -0.05 1.15 -1.16 0.00 0.00 179.01 179.48 2uwe h THR 64 N 0.25 1.08 -0.57 1.13 2.02 -1.15 -0.08 112.91 115.59 2uwe h THR 64 Ca 0.04 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 2uwe h THR 64 Cb 0.59 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 2uwe h THR 64 CO 0.04 0.21 0.13 0.08 0.37 0.00 0.00 175.52 176.35 2uwe h ARG 65 N -0.58 0.89 -0.32 6.66 0.11 -1.24 -1.26 114.38 118.64 2uwe h ARG 65 Ca -0.02 -0.19 -0.06 0.00 0.10 0.00 0.00 59.98 59.81 2uwe h ARG 65 Cb 0.46 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2uwe h ARG 65 CO 0.03 0.80 -0.03 0.87 0.10 0.00 0.00 179.97 181.74 2uwe h LYS 66 N 0.85 0.58 -0.05 0.08 1.57 -1.31 -2.25 116.57 116.04 2uwe h LYS 66 Ca 0.18 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2uwe h LYS 66 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2uwe h LYS 66 CO 0.00 0.74 -0.52 -0.24 -0.57 0.00 0.00 179.45 178.86 2uwe h VAL 67 N 0.37 1.37 -0.06 0.50 3.04 -0.87 -1.75 116.25 118.84 2uwe h VAL 67 Ca 0.09 -1.79 -0.11 0.00 -1.01 0.00 0.00 66.70 63.88 2uwe h VAL 67 Cb 0.50 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 2uwe h VAL 67 CO 0.02 0.52 -0.46 0.11 -1.01 0.00 0.00 177.57 176.76 2uwe h LYS 68 N 0.10 0.14 -0.35 4.17 1.57 -1.20 0.40 116.57 121.39 2uwe h LYS 68 Ca 0.00 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 2uwe h LYS 68 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2uwe h LYS 68 CO 0.07 0.57 -0.36 0.00 -0.57 0.00 0.00 179.45 179.17 2uwe h ALA 69 N 1.42 0.51 -0.22 3.86 0.00 -1.06 -1.62 119.26 122.15 2uwe h ALA 69 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2uwe h ALA 69 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2uwe h ALA 69 CO 0.07 0.59 0.04 0.45 0.00 0.00 0.00 179.25 180.40 2uwe h HIS 70 N 0.65 0.07 -0.35 0.00 3.86 -1.13 -1.26 115.15 116.99 2uwe h HIS 70 Ca 0.05 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 2uwe h HIS 70 Cb 0.94 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.35 2uwe h HIS 70 CO 0.07 0.02 -0.05 1.03 0.86 0.00 0.00 177.93 179.86 2uwe h SER 71 N 0.13 -0.24 0.09 2.45 0.87 -0.81 -1.04 113.55 115.00 2uwe h SER 71 Ca 0.10 0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 2uwe h SER 71 Cb 0.10 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2uwe h SER 71 CO -0.13 -0.08 -0.39 1.56 -0.53 0.00 0.00 176.83 177.25 2uwe h GLN 72 N 0.04 0.40 -0.20 2.24 1.08 -1.22 -2.23 115.11 115.23 2uwe h GLN 72 Ca 0.17 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2uwe h GLN 72 Cb 0.25 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2uwe h GLN 72 CO -0.33 0.74 0.03 1.15 -0.95 0.00 0.00 178.83 179.46 2uwe h THR 73 N 0.34 1.23 0.00 -0.54 2.02 -0.78 -2.59 112.91 112.59 2uwe h THR 73 Ca 0.03 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 2uwe h THR 73 Cb 0.84 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2uwe h THR 73 CO 0.07 0.24 -0.24 0.45 0.37 0.00 0.00 175.52 176.41 2uwe h HIS 74 N 0.12 0.00 -0.46 3.16 3.86 -1.13 0.00 115.15 120.70 2uwe h HIS 74 Ca 0.06 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 2uwe h HIS 74 Cb 0.33 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2uwe h HIS 74 CO 0.02 0.24 -0.12 -0.09 0.86 0.00 0.00 177.93 178.84 2uwe h ARG 75 N 0.00 0.85 -0.04 2.45 2.43 -1.26 -2.03 114.38 116.77 2uwe h ARG 75 Ca -0.00 -0.29 -0.22 0.00 -0.81 0.00 0.00 59.98 58.65 2uwe h ARG 75 Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2uwe h ARG 75 CO 0.03 0.92 -0.88 0.28 -1.51 0.00 0.00 179.97 178.81 2uwe h VAL 76 N 0.76 1.36 -0.83 0.20 2.07 -0.98 -3.24 116.25 115.58 2uwe h VAL 76 Ca 0.12 -2.27 0.04 0.00 0.82 0.00 0.00 66.70 65.41 2uwe h VAL 76 Cb 0.62 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 2uwe h VAL 76 CO 0.04 0.69 0.55 0.44 0.02 0.00 0.00 177.57 179.31 2uwe h ASP 77 N 0.31 0.87 -0.84 0.57 3.32 -0.89 -0.54 116.42 119.22 2uwe h ASP 77 Ca -0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2uwe h ASP 77 Cb 1.50 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 2uwe h ASP 77 CO 0.16 0.59 0.52 -0.07 -1.72 0.00 0.00 179.24 178.71 2uwe h LEU 78 N 1.00 1.01 -0.09 1.55 3.38 -1.40 -0.93 115.31 119.84 2uwe h LEU 78 Ca 0.34 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 58.01 2uwe h LEU 78 Cb 0.09 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2uwe h LEU 78 CO -0.11 0.77 -1.00 1.23 0.09 0.00 0.00 178.44 179.42 2uwe h GLY 79 N 1.18 0.59 0.89 0.83 0.00 -1.46 -3.08 103.07 102.01 2uwe h GLY 79 Ca 0.30 -1.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2uwe h GLY 79 CO -0.06 0.93 0.07 -0.84 0.00 0.00 0.00 176.54 176.64 2uwe h THR 80 N 0.29 1.22 -0.03 4.70 2.02 -0.91 -2.76 112.91 117.44 2uwe h THR 80 Ca -0.11 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 2uwe h THR 80 Cb 1.65 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2uwe h THR 80 CO 0.18 0.23 -0.35 -0.07 0.37 0.00 0.00 175.52 175.89 2uwe h LEU 81 N 0.28 0.06 -0.84 2.58 3.38 -1.29 -1.06 115.31 118.43 2uwe h LEU 81 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2uwe h LEU 81 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2uwe h LEU 81 CO 0.00 0.40 0.12 -0.09 0.09 0.00 0.00 178.44 178.97 2uwe h ARG 82 N 0.05 0.99 -0.30 1.13 2.43 -1.44 -2.31 114.38 114.93 2uwe h ARG 82 Ca 0.00 -0.24 -0.15 0.00 -0.81 0.00 0.00 59.98 58.79 2uwe h ARG 82 Cb 0.64 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2uwe h ARG 82 CO 0.05 0.90 -0.40 0.78 -1.51 0.00 0.00 179.97 179.79 2uwe h GLY 83 N 1.03 0.88 0.80 2.80 0.00 -1.14 0.42 103.07 107.86 2uwe h GLY 83 Ca 0.19 -0.96 0.03 0.00 0.00 0.00 0.00 47.33 46.60 2uwe h GLY 83 CO 0.01 0.86 0.27 -0.97 0.00 0.00 0.00 176.54 176.71 2uwe h TYR 84 N 0.57 0.50 -0.44 5.60 0.05 -1.05 -2.82 116.97 119.39 2uwe h TYR 84 Ca 0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2uwe h TYR 84 Cb 0.99 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.58 2uwe h TYR 84 CO 0.07 0.27 0.00 0.66 -1.05 0.00 0.00 178.16 178.11 2uwe n TYR 85 N -4.85 0.57 -3.41 4.88 4.01 -0.88 -4.95 117.16 112.53 2uwe n TYR 85 Ca 0.04 -0.29 -0.25 0.00 -0.16 0.00 0.00 57.90 57.24 2uwe n TYR 85 Cb 0.11 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 2uwe n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2uwe n ASN 86 N 1.24 -5.20 -4.87 7.72 3.02 -0.85 -4.98 115.26 111.34 2uwe n ASN 86 Ca 0.19 -0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 53.97 2uwe n ASN 86 Cb 0.53 -4.19 -0.04 0.00 -0.61 0.00 0.00 39.78 35.47 2uwe n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2uwe s GLN 87 N -6.10 3.84 0.91 3.52 -0.21 0.08 -5.02 119.66 116.68 2uwe s GLN 87 Ca 0.46 0.54 -0.14 0.00 0.02 0.00 0.00 55.36 56.23 2uwe s GLN 87 Cb -0.22 -2.39 0.15 0.00 1.00 0.00 0.00 33.01 31.56 2uwe s GLN 87 CO 0.57 -0.01 1.25 -1.54 -2.12 0.00 0.00 175.29 173.44 2uwe s SER 88 N -2.96 3.56 0.00 5.90 1.04 -1.26 -4.76 113.70 115.23 2uwe s SER 88 Ca 0.52 0.52 0.21 0.00 0.48 0.00 0.00 55.95 57.69 2uwe s SER 88 Cb -0.10 -0.78 0.22 0.00 0.10 0.00 0.00 66.02 65.46 2uwe s SER 88 CO 0.28 -2.48 1.22 -0.62 0.98 0.00 0.00 173.24 172.62 2uwe n GLU 89 N -3.65 2.06 0.24 4.02 1.02 -1.26 -4.46 120.64 118.62 2uwe n GLU 89 Ca 0.12 -1.87 0.12 0.00 -0.02 0.00 0.00 57.16 55.50 2uwe n GLU 89 Cb 0.60 -1.42 0.58 0.00 -0.02 0.00 0.00 31.44 31.18 2uwe n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2uwe h ALA 90 N 4.14 1.10 -1.28 0.62 0.00 -1.97 -3.45 119.26 118.41 2uwe h ALA 90 Ca 0.00 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 2uwe h ALA 90 Cb 0.90 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2uwe h ALA 90 CO 0.00 0.21 -0.45 0.20 0.00 0.00 0.00 179.25 179.21 2uwe s GLY 91 N -4.25 2.40 -0.13 0.00 0.00 -1.26 -4.90 107.32 99.18 2uwe s GLY 91 Ca -0.01 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 42.84 2uwe s GLY 91 CO 0.61 -1.93 0.19 -0.45 0.00 0.00 0.00 173.10 171.52 2uwe s SER 92 N -3.99 6.41 0.09 1.64 0.15 -1.26 -4.69 113.70 112.06 2uwe s SER 92 Ca 0.37 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.57 2uwe s SER 92 Cb 0.02 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 2uwe s SER 92 CO 0.21 0.31 -0.16 -1.00 1.20 0.00 0.00 173.24 173.80 2uwe s HIS 93 N -0.57 1.43 -0.12 3.44 3.76 -1.26 -4.96 115.29 117.01 2uwe s HIS 93 Ca 0.15 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 2uwe s HIS 93 Cb -0.13 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.77 2uwe s HIS 93 CO 0.04 0.12 -0.18 0.99 -0.85 0.00 0.00 174.74 174.86 2uwe s THR 94 N -1.37 2.60 -0.13 1.30 2.01 -1.26 -1.27 115.64 117.51 2uwe s THR 94 Ca 0.02 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2uwe s THR 94 Cb -0.09 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2uwe s THR 94 CO 0.03 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 2uwe s VAL 95 N 0.35 3.92 0.03 3.82 1.01 0.52 -0.85 120.40 129.21 2uwe s VAL 95 Ca -0.14 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2uwe s VAL 95 Cb -0.17 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2uwe s VAL 95 CO 0.07 0.53 -0.19 -1.10 0.00 0.00 0.00 175.10 174.41 2uwe s GLN 96 N -0.03 1.28 -0.06 2.72 -0.21 -0.23 -0.52 119.66 122.61 2uwe s GLN 96 Ca 0.01 -0.85 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 2uwe s GLN 96 Cb -0.13 -1.35 0.02 0.00 1.00 0.00 0.00 33.01 32.55 2uwe s GLN 96 CO 0.03 0.35 0.14 0.50 -2.12 0.00 0.00 175.29 174.19 2uwe s ARG 97 N -1.06 0.16 -0.03 2.91 3.52 -0.18 -1.19 118.95 123.08 2uwe s ARG 97 Ca 0.06 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 2uwe s ARG 97 Cb -0.08 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 2uwe s ARG 97 CO 0.01 -0.04 -0.02 1.41 -0.81 0.00 0.00 175.30 175.85 2uwe s MET 98 N 0.24 0.46 0.09 5.12 -2.45 -0.43 -0.41 119.30 121.92 2uwe s MET 98 Ca -0.01 -0.00 -0.04 0.00 -1.25 0.00 0.00 55.69 54.39 2uwe s MET 98 Cb -0.03 -0.56 -0.03 0.00 1.25 0.00 0.00 34.83 35.47 2uwe s MET 98 CO -0.01 -0.09 0.08 1.52 1.05 0.00 0.00 175.02 177.57 2uwe s TYR 99 N 0.85 0.52 -5.00 4.11 -0.85 -1.04 -0.87 117.35 115.07 2uwe s TYR 99 Ca -0.09 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.48 2uwe s TYR 99 Cb -0.13 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.91 2uwe s TYR 99 CO -0.01 -0.49 0.00 0.41 -1.52 0.00 0.00 175.55 173.94 2uwe n GLY 100 N -0.02 -2.57 3.16 5.49 0.00 -0.87 -1.08 105.19 109.31 2uwe n GLY 100 Ca -0.11 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 2uwe n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwe s ASP 102 N -2.23 4.01 0.09 0.00 1.01 0.12 -1.44 116.67 118.23 2uwe s ASP 102 Ca 0.02 -0.34 0.09 0.00 0.71 0.00 0.00 52.55 53.03 2uwe s ASP 102 Cb -0.05 -0.74 -0.03 0.00 1.01 0.00 0.00 42.92 43.11 2uwe s ASP 102 CO 0.00 0.27 -0.22 0.68 0.21 0.00 0.00 175.17 176.11 2uwe s VAL 103 N -0.92 1.83 0.12 -1.27 -7.23 0.35 -0.81 120.40 112.47 2uwe s VAL 103 Ca 0.15 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2uwe s VAL 103 Cb -0.11 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.23 2uwe s VAL 103 CO 0.05 0.04 0.15 0.61 -0.31 0.00 0.00 175.10 175.63 2uwe n GLY 104 N 1.22 -1.65 0.07 2.32 0.00 -0.78 -1.29 105.19 105.09 2uwe n GLY 104 Ca -0.19 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.34 2uwe n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uwe n SER 105 N -3.14 0.39 -0.56 1.61 3.41 -1.26 -1.30 113.62 112.78 2uwe n SER 105 Ca 0.02 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2uwe n SER 105 Cb 0.07 -0.67 0.38 0.00 -0.26 0.00 0.00 64.21 63.72 2uwe n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2uwe n ASP 106 N -1.92 1.67 -1.56 4.04 5.75 -1.26 -4.88 116.55 118.39 2uwe n ASP 106 Ca 0.03 -1.70 -0.18 0.00 -0.01 0.00 0.00 54.79 52.93 2uwe n ASP 106 Cb 0.24 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 2uwe n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2uwe n TRP 107 N 0.33 -0.20 -4.08 2.11 7.02 -0.42 -5.00 117.44 117.19 2uwe n TRP 107 Ca 0.16 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.29 2uwe n TRP 107 Cb 0.33 -3.23 -0.07 0.00 -2.42 0.00 0.00 31.31 25.92 2uwe n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2uwe s ARG 108 N -3.87 3.20 0.18 -0.99 0.52 -1.26 -4.81 118.95 111.92 2uwe s ARG 108 Ca 0.00 -0.33 -0.31 0.00 -0.52 0.00 0.00 55.73 54.57 2uwe s ARG 108 Cb 0.00 -2.97 -0.17 0.00 0.52 0.00 0.00 34.95 32.33 2uwe s ARG 108 CO 0.00 0.71 0.82 0.34 0.02 0.00 0.00 175.30 177.19 2uwe n PHE 109 N 1.67 0.34 0.00 -0.53 7.35 -1.26 -1.87 117.46 123.16 2uwe n PHE 109 Ca -0.17 0.88 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 2uwe n PHE 109 Cb 0.54 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 38.27 2uwe n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2uwe n LEU 110 N 1.79 0.25 -3.83 -2.13 7.94 0.01 -4.76 117.00 116.26 2uwe n LEU 110 Ca 0.16 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.95 2uwe n LEU 110 Cb 0.23 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.10 2uwe n LEU 110 CO 0.58 -0.15 -0.08 -0.13 -1.11 0.00 0.00 177.39 176.50 2uwe s ARG 111 N -1.93 0.67 0.04 1.96 0.52 -1.18 -4.99 118.95 114.04 2uwe s ARG 111 Ca 0.00 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2uwe s ARG 111 Cb 0.00 0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.73 2uwe s ARG 111 CO 0.00 -0.19 -0.06 0.20 0.02 0.00 0.00 175.30 175.26 2uwe s GLY 112 N -1.90 0.43 0.03 -3.53 0.00 -1.26 0.13 107.32 101.23 2uwe s GLY 112 Ca -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2uwe s GLY 112 CO -0.02 -0.78 -0.07 -0.19 0.00 0.00 0.00 173.10 172.03 2uwe s TYR 113 N -1.45 0.61 -0.30 1.90 1.51 0.51 -4.92 117.35 115.21 2uwe s TYR 113 Ca -0.11 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 2uwe s TYR 113 Cb -0.10 -0.37 0.19 0.00 -0.11 0.00 0.00 41.96 41.57 2uwe s TYR 113 CO -0.00 -0.08 0.85 -1.58 -1.11 0.00 0.00 175.55 173.63 2uwe s HIS 114 N -1.20 -1.05 0.05 2.71 2.46 -1.24 -2.04 115.29 114.98 2uwe s HIS 114 Ca -0.09 0.92 -0.17 0.00 0.47 0.00 0.00 55.06 56.20 2uwe s HIS 114 Cb -0.09 0.30 0.03 0.00 -0.13 0.00 0.00 32.58 32.69 2uwe s HIS 114 CO 0.00 -0.59 0.39 1.14 -2.47 0.00 0.00 174.74 173.21 2uwe s GLN 115 N 2.91 0.90 0.08 2.88 -2.07 -0.05 -0.33 119.66 123.99 2uwe s GLN 115 Ca 0.12 -0.41 0.05 0.00 -1.82 0.00 0.00 55.36 53.30 2uwe s GLN 115 Cb -0.10 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 2uwe s GLN 115 CO -0.18 -0.31 -0.14 0.71 -1.32 0.00 0.00 175.29 174.05 2uwe s TYR 116 N -2.55 1.24 0.01 9.60 1.51 0.99 -1.31 117.35 126.85 2uwe s TYR 116 Ca -0.05 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 2uwe s TYR 116 Cb -0.01 -0.69 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2uwe s TYR 116 CO -0.03 0.07 -0.11 0.00 -1.11 0.00 0.00 175.55 174.37 2uwe s ALA 117 N -1.44 0.88 -0.20 3.71 0.00 -0.33 -0.70 121.76 123.68 2uwe s ALA 117 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2uwe s ALA 117 Cb -0.09 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.90 2uwe s ALA 117 CO 0.02 0.18 -0.15 -0.47 0.00 0.00 0.00 175.76 175.35 2uwe s TYR 118 N -0.53 2.77 -1.45 0.00 5.04 -0.41 -1.07 117.35 121.71 2uwe s TYR 118 Ca 0.02 -1.78 -0.12 0.00 -2.44 0.00 0.00 57.07 52.75 2uwe s TYR 118 Cb -0.06 -1.82 0.05 0.00 0.35 0.00 0.00 41.96 40.48 2uwe s TYR 118 CO 0.00 -0.80 1.08 -0.25 -1.34 0.00 0.00 175.55 174.25 2uwe n ASP 119 N 4.60 -5.57 0.00 4.32 8.00 -0.03 -2.97 116.55 124.90 2uwe n ASP 119 Ca -0.17 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2uwe n ASP 119 Cb 0.47 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 2uwe n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uwe n GLY 120 N -1.85 1.15 3.54 0.44 0.00 -1.26 -5.02 105.19 102.20 2uwe n GLY 120 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2uwe n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwe s LYS 121 N -0.40 2.88 -0.03 1.61 1.02 -1.16 -5.06 119.74 118.60 2uwe s LYS 121 Ca 0.00 -0.57 -0.39 0.00 0.02 0.00 0.00 55.97 55.03 2uwe s LYS 121 Cb 0.00 -2.61 -0.18 0.00 -0.52 0.00 0.00 37.83 34.52 2uwe s LYS 121 CO 0.00 0.58 1.32 -0.25 -0.92 0.00 0.00 175.35 176.07 2uwe n ASP 122 N 2.49 1.13 -0.00 2.83 8.00 -1.26 -1.28 116.55 128.45 2uwe n ASP 122 Ca -0.18 1.13 -0.01 0.00 0.71 0.00 0.00 54.79 56.45 2uwe n ASP 122 Cb 0.53 -1.07 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2uwe n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uwe n TYR 123 N 2.62 0.00 -3.90 1.24 9.36 0.13 -4.70 117.16 121.91 2uwe n TYR 123 Ca 0.21 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.32 2uwe n TYR 123 Cb 0.13 -0.04 -0.13 0.00 -0.63 0.00 0.00 39.34 38.67 2uwe n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2uwe s ILE 124 N -1.20 0.04 -0.08 2.97 2.07 -1.22 -1.77 121.20 122.01 2uwe s ILE 124 Ca -0.02 -0.30 -0.07 0.00 -1.41 0.00 0.00 60.65 58.85 2uwe s ILE 124 Cb 0.00 -0.10 0.02 0.00 0.13 0.00 0.00 42.46 42.52 2uwe s ILE 124 CO 0.03 -0.17 0.21 0.00 -1.91 0.00 0.00 174.94 173.11 2uwe s ALA 125 N -0.48 -0.51 0.15 1.50 0.00 -0.65 -0.01 121.76 121.76 2uwe s ALA 125 Ca -0.05 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 2uwe s ALA 125 Cb -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.64 2uwe s ALA 125 CO -0.00 -0.11 1.22 -1.17 0.00 0.00 0.00 175.76 175.70 2uwe s LEU 126 N 0.26 4.42 0.82 0.00 2.96 0.56 -0.16 118.68 127.54 2uwe s LEU 126 Ca -0.01 2.21 -0.12 0.00 -0.22 0.00 0.00 54.13 55.99 2uwe s LEU 126 Cb -0.03 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.15 2uwe s LEU 126 CO -0.01 -0.43 1.17 -0.54 -1.32 0.00 0.00 176.35 175.22 2uwe s LYS 127 N 0.16 1.89 0.50 1.98 1.02 -0.66 -4.70 119.74 119.93 2uwe s LYS 127 Ca 0.55 0.15 0.19 0.00 0.02 0.00 0.00 55.97 56.88 2uwe s LYS 127 Cb -0.33 -1.94 1.25 0.00 -0.52 0.00 0.00 37.83 36.30 2uwe s LYS 127 CO 0.35 -1.65 2.08 1.05 -0.92 0.00 0.00 175.35 176.25 2uwe h GLU 128 N -1.10 0.00 0.00 1.68 9.09 -1.91 -1.78 114.58 120.57 2uwe h GLU 128 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 2uwe h GLU 128 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 2uwe h GLU 128 CO 0.65 0.11 0.00 0.38 0.05 0.00 0.00 179.01 180.20 2uwe h ASP 129 N 0.00 0.00 -0.08 3.06 3.04 -1.93 -3.47 116.42 117.04 2uwe h ASP 129 Ca -0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 2uwe h ASP 129 Cb 0.21 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.49 2uwe h ASP 129 CO 0.01 0.00 -0.03 0.18 -2.04 0.00 0.00 179.24 177.36 2uwe n LEU 130 N -2.34 0.12 -0.01 0.15 4.77 -0.67 -4.83 117.00 114.20 2uwe n LEU 130 Ca 0.03 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 2uwe n LEU 130 Cb 0.29 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2uwe n LEU 130 CO 0.23 -0.33 -0.54 0.54 -1.33 0.00 0.00 177.39 175.96 2uwe n ARG 131 N -1.98 1.93 -3.65 3.23 1.74 -1.26 -4.72 116.66 111.94 2uwe n ARG 131 Ca -0.02 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 2uwe n ARG 131 Cb 0.18 -1.03 -0.02 0.00 -1.02 0.00 0.00 32.46 30.56 2uwe n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2uwe s SER 132 N -3.65 5.57 -0.02 0.55 0.01 -1.26 -4.86 113.70 110.05 2uwe s SER 132 Ca -0.01 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.93 2uwe s SER 132 Cb 0.00 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 2uwe s SER 132 CO 0.04 -0.40 -0.20 0.26 0.41 0.00 0.00 173.24 173.35 2uwe s TRP 133 N -2.26 1.83 -0.39 2.43 0.52 -1.26 -1.66 118.94 118.16 2uwe s TRP 133 Ca 0.43 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 56.02 2uwe s TRP 133 Cb -0.07 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 31.07 2uwe s TRP 133 CO 0.29 -0.05 0.39 0.99 0.02 0.00 0.00 176.95 178.58 2uwe s THR 134 N -0.41 5.14 -0.29 2.01 2.01 0.78 -4.94 115.64 119.94 2uwe s THR 134 Ca 0.06 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 2uwe s THR 134 Cb -0.08 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2uwe s THR 134 CO -0.00 -0.27 0.12 0.00 -0.69 0.00 0.00 174.62 173.77 2uwe s ALA 135 N 2.02 3.20 0.16 7.40 0.00 -1.26 -1.64 121.76 131.64 2uwe s ALA 135 Ca 0.11 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 2uwe s ALA 135 Cb -0.17 -2.25 0.05 0.00 0.00 0.00 0.00 23.12 20.74 2uwe s ALA 135 CO 0.12 -0.82 1.78 0.00 0.00 0.00 0.00 175.76 176.84 2uwe h ALA 136 N 8.30 0.64 -2.98 0.00 0.00 -1.63 -3.47 119.26 120.12 2uwe h ALA 136 Ca -0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2uwe h ALA 136 Cb 1.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2uwe h ALA 136 CO 0.60 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 2uwe n ASP 137 N -4.66 0.00 0.15 0.00 5.68 -1.26 -5.04 116.55 111.42 2uwe n ASP 137 Ca 0.02 -0.39 0.03 0.00 -0.50 0.00 0.00 54.79 53.94 2uwe n ASP 137 Cb 0.08 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.16 2uwe n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2uwe h MET 138 N 0.00 0.00 -0.23 0.11 2.86 -1.98 -1.71 114.93 113.98 2uwe h MET 138 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2uwe h MET 138 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2uwe h MET 138 CO 0.00 0.51 -0.24 0.00 1.06 0.00 0.00 176.91 178.24 2uwe h ALA 139 N 1.49 1.16 0.00 6.32 0.00 -1.97 -2.21 119.26 124.04 2uwe h ALA 139 Ca -0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2uwe h ALA 139 Cb 1.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2uwe h ALA 139 CO 0.07 0.53 -0.65 0.00 0.00 0.00 0.00 179.25 179.20 2uwe h ALA 140 N 1.36 0.66 -0.13 0.00 0.00 -1.81 -3.01 119.26 116.33 2uwe h ALA 140 Ca 0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2uwe h ALA 140 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2uwe h ALA 140 CO 0.05 0.82 -0.36 1.96 0.00 0.00 0.00 179.25 181.71 2uwe h GLN 141 N 0.00 0.26 -0.20 0.00 1.08 -1.04 -0.43 115.11 114.78 2uwe h GLN 141 Ca -0.01 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 56.96 2uwe h GLN 141 Cb 1.39 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2uwe h GLN 141 CO 0.08 0.59 -0.41 1.15 -0.95 0.00 0.00 178.83 179.30 2uwe h THR 142 N 0.23 1.30 -0.34 -0.54 2.02 -1.38 -2.53 112.91 111.67 2uwe h THR 142 Ca 0.03 -1.56 -0.12 0.00 0.77 0.00 0.00 66.41 65.53 2uwe h THR 142 Cb 0.75 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2uwe h THR 142 CO 0.06 0.48 -0.24 0.74 0.37 0.00 0.00 175.52 176.93 2uwe h THR 143 N 0.39 1.29 -0.35 3.16 2.02 -1.35 -2.87 112.91 115.19 2uwe h THR 143 Ca 0.03 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.84 2uwe h THR 143 Cb 0.88 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 2uwe h THR 143 CO 0.07 0.46 0.20 0.50 0.37 0.00 0.00 175.52 177.12 2uwe h LYS 144 N 0.55 0.40 -0.44 6.66 3.64 -1.03 -2.16 116.57 124.19 2uwe h LYS 144 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2uwe h LYS 144 Cb 0.81 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2uwe h LYS 144 CO 0.07 0.27 0.09 0.45 -2.27 0.00 0.00 179.45 178.06 2uwe h HIS 145 N 0.42 0.68 -0.59 1.91 3.86 -1.49 0.12 115.15 120.06 2uwe h HIS 145 Ca 0.14 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2uwe h HIS 145 Cb 0.01 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 2uwe h HIS 145 CO -0.08 0.59 0.34 0.87 0.86 0.00 0.00 177.93 180.51 2uwe h LYS 146 N 0.64 0.81 -0.05 2.45 1.57 -1.28 -2.94 116.57 117.77 2uwe h LYS 146 Ca 0.14 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 2uwe h LYS 146 Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2uwe h LYS 146 CO -0.00 0.60 -0.80 -1.49 -0.57 0.00 0.00 179.45 177.19 2uwe h TRP 147 N 0.79 0.58 -0.27 -1.35 4.06 -0.67 -3.06 115.95 116.02 2uwe h TRP 147 Ca 0.21 -0.28 -0.10 0.00 2.06 0.00 0.00 58.89 60.78 2uwe h TRP 147 Cb 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 2uwe h TRP 147 CO -0.02 1.06 -0.25 0.93 -3.56 0.00 0.00 178.44 176.60 2uwe h GLU 148 N 0.27 0.53 0.00 0.49 5.08 -0.83 -1.00 114.58 119.12 2uwe h GLU 148 Ca -0.05 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 2uwe h GLU 148 Cb 1.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2uwe h GLU 148 CO 0.14 0.74 -0.32 0.00 -1.00 0.00 0.00 179.01 178.57 2uwe h ALA 149 N 1.26 1.21 -0.53 3.43 0.00 -1.49 -2.98 119.26 120.16 2uwe h ALA 149 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2uwe h ALA 149 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2uwe h ALA 149 CO 0.05 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2uwe n ALA 150 N -2.36 2.37 -3.77 0.00 0.00 -1.07 -4.98 120.51 110.70 2uwe n ALA 150 Ca -0.01 -1.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.04 2uwe n ALA 150 Cb 0.41 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.07 2uwe n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2uwe n HIS 151 N 1.43 -2.09 -0.13 0.00 -0.00 -0.74 -4.91 115.22 108.78 2uwe n HIS 151 Ca 0.20 0.87 -0.09 0.00 -0.00 0.00 0.00 57.72 58.71 2uwe n HIS 151 Cb 0.58 -4.29 -0.01 0.00 -0.00 0.00 0.00 29.99 26.28 2uwe n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2uwe h VAL 152 N -1.98 1.19 -0.43 1.59 2.07 -1.50 -2.59 116.25 114.60 2uwe h VAL 152 Ca -0.60 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 66.41 2uwe h VAL 152 Cb 1.36 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2uwe h VAL 152 CO 0.60 0.21 0.09 0.00 0.02 0.00 0.00 177.57 178.50 2uwe h ALA 153 N 1.01 0.47 -0.26 1.67 0.00 -1.89 0.41 119.26 120.67 2uwe h ALA 153 Ca 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2uwe h ALA 153 Cb 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2uwe h ALA 153 CO -0.01 -0.31 0.16 1.49 0.00 0.00 0.00 179.25 180.58 2uwe h GLU 154 N 0.23 0.35 -0.12 0.00 4.81 -1.81 -1.03 114.58 117.01 2uwe h GLU 154 Ca 0.21 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2uwe h GLU 154 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2uwe h GLU 154 CO -0.26 0.28 -0.21 1.96 -0.73 0.00 0.00 179.01 180.04 2uwe h GLN 155 N 0.33 0.21 -0.18 1.92 4.20 -1.21 -2.94 115.11 117.43 2uwe h GLN 155 Ca 0.09 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 2uwe h GLN 155 Cb 0.01 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2uwe h GLN 155 CO -0.02 0.42 -0.53 1.25 -0.67 0.00 0.00 178.83 179.28 2uwe h LEU 156 N 0.19 0.58 -1.46 1.46 5.85 -0.40 -2.92 115.31 118.61 2uwe h LEU 156 Ca 0.03 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2uwe h LEU 156 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2uwe h LEU 156 CO 0.03 1.00 0.04 0.03 -0.34 0.00 0.00 178.44 179.20 2uwe h ARG 157 N 0.40 0.39 -0.83 1.25 3.08 -1.03 0.74 114.38 118.39 2uwe h ARG 157 Ca 0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2uwe h ARG 157 Cb 1.06 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 2uwe h ARG 157 CO 0.10 0.39 0.38 0.00 -1.07 0.00 0.00 179.97 179.76 2uwe h ALA 158 N 1.66 1.07 0.49 0.04 0.00 -1.41 -1.29 119.26 119.82 2uwe h ALA 158 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2uwe h ALA 158 Cb 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2uwe h ALA 158 CO -0.00 0.65 -0.24 -0.92 0.00 0.00 0.00 179.25 178.75 2uwe h TYR 159 N 1.19 -0.61 -0.20 0.00 3.20 -1.33 -2.21 116.97 117.01 2uwe h TYR 159 Ca 0.28 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2uwe h TYR 159 Cb 0.15 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2uwe h TYR 159 CO 0.02 -0.38 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.08 2uwe h LEU 160 N -1.18 0.27 0.00 2.82 3.38 -0.89 0.58 115.31 120.29 2uwe h LEU 160 Ca -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2uwe h LEU 160 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2uwe h LEU 160 CO 0.11 0.33 -1.19 -0.62 0.09 0.00 0.00 178.44 177.15 2uwe n GLU 161 N -4.36 0.31 0.00 1.13 1.02 -0.49 -4.14 120.64 114.11 2uwe n GLU 161 Ca -0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2uwe n GLU 161 Cb 0.19 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2uwe n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uwe n GLY 162 N 1.37 0.26 0.31 0.62 0.00 -0.84 -4.68 105.19 102.24 2uwe n GLY 162 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2uwe n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwe h ALA 163 N -0.06 1.00 -0.17 4.61 0.00 -1.23 -1.20 119.26 122.21 2uwe h ALA 163 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2uwe h ALA 163 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2uwe h ALA 163 CO 0.00 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.84 2uwe h VAL 165 N 0.21 1.26 -0.42 0.00 2.07 -1.66 -2.48 116.25 115.24 2uwe h VAL 165 Ca 0.06 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 2uwe h VAL 165 Cb 0.01 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2uwe h VAL 165 CO -0.01 0.38 -0.23 -0.33 0.02 0.00 0.00 177.57 177.40 2uwe h GLU 166 N 0.72 0.90 -0.31 1.57 5.08 -1.16 -2.07 114.58 119.32 2uwe h GLU 166 Ca 0.14 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2uwe h GLU 166 Cb 0.54 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2uwe h GLU 166 CO 0.03 1.06 -0.30 -1.49 -1.00 0.00 0.00 179.01 177.31 2uwe h TRP 167 N 0.72 0.74 -0.18 4.33 4.06 -1.44 -2.21 115.95 121.97 2uwe h TRP 167 Ca 0.09 -0.18 0.02 0.00 2.06 0.00 0.00 58.89 60.87 2uwe h TRP 167 Cb 0.80 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 2uwe h TRP 167 CO 0.06 0.87 0.06 1.25 -3.56 0.00 0.00 178.44 177.12 2uwe h LEU 168 N 0.55 0.08 -1.02 -4.49 5.85 -1.30 -0.28 115.31 114.70 2uwe h LEU 168 Ca 0.07 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2uwe h LEU 168 Cb 0.79 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2uwe h LEU 168 CO 0.06 0.07 0.65 0.03 -0.34 0.00 0.00 178.44 178.92 2uwe h ARG 169 N 0.15 1.23 -0.45 1.25 3.08 -1.30 -0.58 114.38 117.77 2uwe h ARG 169 Ca 0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2uwe h ARG 169 Cb 0.04 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2uwe h ARG 169 CO -0.08 0.82 0.19 -0.09 -1.07 0.00 0.00 179.97 179.74 2uwe h ARG 170 N 1.27 0.66 -0.36 0.04 2.43 -1.03 -2.25 114.38 115.13 2uwe h ARG 170 Ca 0.39 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2uwe h ARG 170 Cb -0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2uwe h ARG 170 CO -0.12 0.59 0.06 1.88 -1.51 0.00 0.00 179.97 180.88 2uwe h TYR 171 N 0.58 0.64 0.00 2.20 0.05 -0.62 -0.65 116.97 119.16 2uwe h TYR 171 Ca 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2uwe h TYR 171 Cb 0.17 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 2uwe h TYR 171 CO -0.00 0.65 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.67 2uwe h LEU 172 N 0.44 0.00 0.11 3.88 3.38 -1.07 0.96 115.31 123.02 2uwe h LEU 172 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2uwe h LEU 172 Cb 0.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2uwe h LEU 172 CO 0.01 0.02 -0.67 -0.08 0.09 0.00 0.00 178.44 177.81 2uwe h GLU 173 N 0.00 0.24 -0.31 1.13 4.57 -1.18 -3.08 114.58 115.94 2uwe h GLU 173 Ca -0.00 -0.41 -0.09 0.00 -1.18 0.00 0.00 59.36 57.69 2uwe h GLU 173 Cb 0.04 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2uwe h GLU 173 CO 0.00 1.20 -0.17 -0.91 -1.18 0.00 0.00 179.01 177.95 2uwe h ASN 174 N -0.50 0.55 -1.34 1.04 2.35 -0.79 -3.02 115.58 113.87 2uwe h ASN 174 Ca -0.12 -0.17 -0.65 0.00 -0.55 0.00 0.00 56.30 54.82 2uwe h ASN 174 Cb 1.52 -0.15 -0.35 0.00 0.05 0.00 0.00 38.32 39.39 2uwe h ASN 174 CO 0.12 0.74 0.14 0.61 -1.65 0.00 0.00 177.43 177.39 2uwe n GLY 175 N -0.49 5.94 0.37 2.83 0.00 0.30 -4.82 105.19 109.32 2uwe n GLY 175 Ca 0.00 -2.55 0.01 0.00 0.00 0.00 0.00 46.02 43.48 2uwe n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2uwe h LYS 176 N 2.45 1.13 -0.65 1.61 3.64 -1.43 0.15 116.57 123.47 2uwe h LYS 176 Ca 0.47 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 2uwe h LYS 176 Cb 0.80 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2uwe h LYS 176 CO 1.18 0.75 0.34 0.93 -2.27 0.00 0.00 179.45 180.37 2uwe h GLU 177 N 1.17 0.92 0.00 1.90 3.07 -1.88 -2.79 114.58 116.97 2uwe h GLU 177 Ca 0.36 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 2uwe h GLU 177 Cb -0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 2uwe h GLU 177 CO -0.11 0.71 -0.27 1.15 -1.40 0.00 0.00 179.01 179.09 2uwe h THR 178 N 0.89 0.60 0.00 1.13 2.02 -1.86 -3.37 112.91 112.33 2uwe h THR 178 Ca 0.23 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 2uwe h THR 178 Cb 0.07 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2uwe h THR 178 CO -0.03 0.20 -0.45 -0.07 0.37 0.00 0.00 175.52 175.54 2uwe h LEU 179 N -1.00 0.00 -2.47 2.58 3.38 -0.82 -3.22 115.31 113.76 2uwe h LEU 179 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2uwe h LEU 179 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2uwe h LEU 179 CO -0.03 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.95 2uwe n GLN 180 N -3.34 2.50 -2.43 1.13 6.02 -1.05 -4.96 117.38 115.24 2uwe n GLN 180 Ca 0.01 -2.30 -0.31 0.00 -0.01 0.00 0.00 57.00 54.39 2uwe n GLN 180 Cb 0.64 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 2uwe n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2uwe s ARG 181 N -1.25 3.86 -0.31 -1.09 1.70 -1.22 -4.99 118.95 115.65 2uwe s ARG 181 Ca 0.38 0.81 -0.00 0.00 -0.47 0.00 0.00 55.73 56.45 2uwe s ARG 181 Cb 0.21 -2.19 0.10 0.00 -0.57 0.00 0.00 34.95 32.50 2uwe s ARG 181 CO 0.29 -0.26 0.09 0.95 -1.08 0.00 0.00 175.30 175.29 2uwe s THR 182 N -2.65 1.06 -0.23 4.99 -4.23 -1.26 -4.56 115.64 108.76 2uwe s THR 182 Ca 0.57 -1.49 -0.26 0.00 -1.18 0.00 0.00 61.69 59.32 2uwe s THR 182 Cb -0.10 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.95 2uwe s THR 182 CO 0.34 -0.64 0.90 -1.81 -0.54 0.00 0.00 174.62 172.88 2uwe s ASP 183 N 1.53 6.94 0.33 3.99 1.01 -0.19 -4.74 116.67 125.54 2uwe s ASP 183 Ca 0.09 1.17 -0.27 0.00 0.71 0.00 0.00 52.55 54.25 2uwe s ASP 183 Cb -0.17 -2.47 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 2uwe s ASP 183 CO -0.22 -0.55 1.06 0.00 0.21 0.00 0.00 175.17 175.67 2uwe s ALA 184 N 2.86 3.26 0.24 5.23 0.00 -1.26 -0.98 121.76 131.11 2uwe s ALA 184 Ca 0.38 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 2uwe s ALA 184 Cb -0.15 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 2uwe s ALA 184 CO 0.08 -0.14 1.48 -1.25 0.00 0.00 0.00 175.76 175.93 2uwe s PRO 185 N -1.89 4.24 -0.16 0.00 0.04 -1.26 -4.43 135.00 131.54 2uwe s PRO 185 Ca 0.50 2.35 -0.26 0.00 0.04 0.00 0.00 61.00 63.63 2uwe s PRO 185 Cb -0.27 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 2uwe s PRO 185 CO 0.34 -0.48 0.88 0.15 0.04 0.00 0.00 177.00 177.92 2uwe s LYS 186 N -0.16 4.32 0.16 4.56 1.02 0.21 -4.81 119.74 125.03 2uwe s LYS 186 Ca 0.62 1.11 0.09 0.00 0.02 0.00 0.00 55.97 57.80 2uwe s LYS 186 Cb -0.43 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 2uwe s LYS 186 CO 0.42 -0.33 -0.12 0.95 -0.92 0.00 0.00 175.35 175.34 2uwe s THR 187 N 2.15 3.09 0.03 2.17 -4.23 -1.26 -0.70 115.64 116.88 2uwe s THR 187 Ca 0.41 -1.59 -0.28 0.00 -1.18 0.00 0.00 61.69 59.05 2uwe s THR 187 Cb -0.17 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.28 2uwe s THR 187 CO 0.13 -0.03 0.95 -1.38 -0.54 0.00 0.00 174.62 173.75 2uwe s HIS 188 N -1.50 -0.26 -0.00 3.99 -3.43 -1.20 -5.01 115.29 107.88 2uwe s HIS 188 Ca 0.23 0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.64 2uwe s HIS 188 Cb -0.09 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 2uwe s HIS 188 CO 0.13 -0.59 -0.24 1.41 -2.00 0.00 0.00 174.74 173.46 2uwe s MET 189 N -3.08 2.09 0.17 -0.38 1.75 -1.26 -1.01 119.30 117.57 2uwe s MET 189 Ca 0.08 -0.95 0.09 0.00 -1.25 0.00 0.00 55.69 53.66 2uwe s MET 189 Cb -0.01 -2.09 -0.04 0.00 2.84 0.00 0.00 34.83 35.53 2uwe s MET 189 CO -0.05 0.56 -0.11 0.95 -0.65 0.00 0.00 175.02 175.71 2uwe s THR 190 N -0.71 3.11 -0.07 10.11 -4.23 -0.15 -4.97 115.64 118.72 2uwe s THR 190 Ca 0.11 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2uwe s THR 190 Cb -0.10 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2uwe s THR 190 CO 0.01 -0.08 -0.14 -2.28 -0.54 0.00 0.00 174.62 171.59 2uwe s HIS 191 N -1.62 1.60 -0.05 3.99 2.46 -1.26 -1.40 115.29 119.01 2uwe s HIS 191 Ca 0.24 -0.60 -0.00 0.00 0.47 0.00 0.00 55.06 55.16 2uwe s HIS 191 Cb -0.09 -1.15 0.03 0.00 -0.13 0.00 0.00 32.58 31.23 2uwe s HIS 191 CO 0.14 -0.30 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.09 2uwe s HIS 192 N 0.62 0.60 -0.26 3.88 3.76 -0.43 -4.99 115.29 118.47 2uwe s HIS 192 Ca -0.15 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 2uwe s HIS 192 Cb -0.16 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 32.88 2uwe s HIS 192 CO 0.04 -0.23 1.14 0.00 -0.85 0.00 0.00 174.74 174.85 2uwe s ALA 193 N 1.35 3.56 -0.05 -1.40 0.00 -1.26 0.91 121.76 124.87 2uwe s ALA 193 Ca -0.05 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.14 2uwe s ALA 193 Cb -0.13 -3.65 -0.24 0.00 0.00 0.00 0.00 23.12 19.10 2uwe s ALA 193 CO -0.02 -1.35 0.62 -0.39 0.00 0.00 0.00 175.76 174.62 2uwe h VAL 194 N 5.64 0.82 -3.17 0.00 -1.51 -1.77 -3.48 116.25 112.79 2uwe h VAL 194 Ca -0.22 -2.65 -0.16 0.00 -1.23 0.00 0.00 66.70 62.44 2uwe h VAL 194 Cb 1.07 2.45 -0.04 0.00 -2.13 0.00 0.00 31.29 32.64 2uwe h VAL 194 CO 1.01 0.58 -0.09 -1.54 -1.23 0.00 0.00 177.57 176.30 2uwe n SER 195 N -3.14 -0.79 0.00 4.19 3.41 -0.99 -5.00 113.62 111.31 2uwe n SER 195 Ca -0.19 -2.10 0.09 0.00 -0.26 0.00 0.00 58.87 56.40 2uwe n SER 195 Cb 1.05 1.48 0.41 0.00 -0.26 0.00 0.00 64.21 66.89 2uwe n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2uwe n ASP 196 N -1.84 0.00 0.00 4.04 5.75 -1.26 -3.44 116.55 119.80 2uwe n ASP 196 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 2uwe n ASP 196 Cb 0.34 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2uwe n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2uwe n HIS 197 N -1.45 0.00 -4.05 2.11 1.44 -1.26 -4.94 115.22 107.06 2uwe n HIS 197 Ca 0.05 -0.01 -0.12 0.00 -2.01 0.00 0.00 57.72 55.63 2uwe n HIS 197 Cb 0.20 -0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.19 2uwe n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2uwe s GLU 198 N -0.03 0.50 0.00 -1.40 2.02 -1.22 -1.35 118.70 117.23 2uwe s GLU 198 Ca 0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.20 2uwe s GLU 198 Cb 0.00 -0.23 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 2uwe s GLU 198 CO 0.00 0.03 0.07 0.00 0.02 0.00 0.00 175.26 175.38 2uwe s ALA 199 N -1.45 -0.15 -0.24 5.21 0.00 0.21 -2.12 121.76 123.22 2uwe s ALA 199 Ca -0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 2uwe s ALA 199 Cb -0.10 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2uwe s ALA 199 CO 0.00 -0.17 0.10 0.99 0.00 0.00 0.00 175.76 176.68 2uwe s THR 200 N -1.21 4.73 -0.24 0.00 2.01 0.26 0.70 115.64 121.90 2uwe s THR 200 Ca -0.13 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 2uwe s THR 200 Cb -0.07 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2uwe s THR 200 CO 0.00 0.35 0.15 -0.76 -0.69 0.00 0.00 174.62 173.68 2uwe s LEU 201 N 1.28 4.08 -0.17 4.42 1.02 -0.54 -1.32 118.68 127.45 2uwe s LEU 201 Ca 0.06 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.31 2uwe s LEU 201 Cb -0.15 -2.09 0.01 0.00 0.02 0.00 0.00 46.19 43.99 2uwe s LEU 201 CO 0.05 0.07 -0.19 -0.60 0.02 0.00 0.00 176.35 175.69 2uwe s ARG 202 N 1.04 3.05 -0.29 1.70 3.52 -0.49 -1.37 118.95 126.10 2uwe s ARG 202 Ca 0.07 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 2uwe s ARG 202 Cb -0.13 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 2uwe s ARG 202 CO 0.04 -0.12 0.16 0.00 -0.81 0.00 0.00 175.30 174.57 2uwe s TRP 204 N 1.67 3.50 -0.13 0.00 0.52 -0.18 -0.90 118.94 123.41 2uwe s TRP 204 Ca 0.06 0.41 -0.00 0.00 0.02 0.00 0.00 56.10 56.59 2uwe s TRP 204 Cb -0.16 -1.87 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 2uwe s TRP 204 CO 0.08 0.66 -0.10 0.00 0.02 0.00 0.00 176.95 177.61 2uwe s ALA 205 N -1.09 1.53 0.09 0.98 0.00 0.44 -3.24 121.76 120.48 2uwe s ALA 205 Ca 0.18 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2uwe s ALA 205 Cb -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2uwe s ALA 205 CO 0.08 -0.41 -0.12 -0.51 0.00 0.00 0.00 175.76 174.80 2uwe s LEU 206 N 1.62 2.36 -1.43 0.00 1.43 0.12 -1.36 118.68 121.43 2uwe s LEU 206 Ca 0.05 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 2uwe s LEU 206 Cb -0.13 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.72 2uwe s LEU 206 CO -0.09 -0.19 1.03 -0.24 0.23 0.00 0.00 176.35 177.09 2uwe n SER 207 N 0.81 -6.09 -4.73 2.29 2.88 -1.05 0.63 113.62 108.36 2uwe n SER 207 Ca -0.18 -0.52 -0.30 0.00 -1.33 0.00 0.00 58.87 56.55 2uwe n SER 207 Cb 0.56 -4.82 -0.07 0.00 -0.75 0.00 0.00 64.21 59.13 2uwe n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2uwe s PHE 208 N -3.28 3.08 -0.09 0.66 -0.12 -1.16 -4.52 117.98 112.55 2uwe s PHE 208 Ca 0.54 0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 57.36 2uwe s PHE 208 Cb -0.24 -1.56 0.03 0.00 -0.63 0.00 0.00 43.02 40.61 2uwe s PHE 208 CO 0.66 0.50 0.22 -0.47 -0.05 0.00 0.00 175.22 176.09 2uwe s TYR 209 N -1.40 -0.26 0.73 3.49 6.14 -0.15 -0.87 117.35 125.03 2uwe s TYR 209 Ca 0.28 0.63 -0.12 0.00 0.64 0.00 0.00 57.07 58.49 2uwe s TYR 209 Cb -0.12 0.07 0.17 0.00 0.42 0.00 0.00 41.96 42.51 2uwe s TYR 209 CO 0.20 -0.14 0.82 -0.35 0.64 0.00 0.00 175.55 176.72 2uwe n PRO 210 N 3.21 -1.58 0.25 4.97 -0.04 -1.26 -1.02 135.00 139.53 2uwe n PRO 210 Ca -0.15 -1.28 0.16 0.00 -0.04 0.00 0.00 63.50 62.20 2uwe n PRO 210 Cb 0.57 -0.99 0.69 0.00 -0.04 0.00 0.00 33.50 33.73 2uwe n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uwe h ALA 211 N -2.15 1.00 -2.23 0.55 0.00 -1.97 -3.44 119.26 111.02 2uwe h ALA 211 Ca -0.28 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.08 2uwe h ALA 211 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2uwe h ALA 211 CO 0.19 0.00 1.14 -2.00 0.00 0.00 0.00 179.25 178.59 2uwe s GLU 212 N -3.63 4.05 -0.18 0.00 2.56 -1.26 -4.97 118.70 115.27 2uwe s GLU 212 Ca 0.01 2.17 -0.25 0.00 0.00 0.00 0.00 54.97 56.91 2uwe s GLU 212 Cb 0.09 -4.05 0.06 0.00 2.00 0.00 0.00 34.13 32.24 2uwe s GLU 212 CO 0.49 -1.01 0.65 -1.50 -0.56 0.00 0.00 175.26 173.33 2uwe s ILE 213 N 4.55 0.00 -0.21 -3.70 2.07 -1.26 -4.62 121.20 118.02 2uwe s ILE 213 Ca 0.77 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 60.01 2uwe s ILE 213 Cb -0.34 -0.93 0.04 0.00 0.13 0.00 0.00 42.46 41.36 2uwe s ILE 213 CO 0.32 -0.01 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.29 2uwe s THR 214 N -0.14 2.13 -0.23 4.00 2.01 -0.84 -5.01 115.64 117.56 2uwe s THR 214 Ca -0.04 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 2uwe s THR 214 Cb -0.03 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2uwe s THR 214 CO 0.03 0.31 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.51 2uwe s LEU 215 N 1.22 3.11 -0.04 4.42 1.43 -1.26 -1.54 118.68 126.02 2uwe s LEU 215 Ca -0.01 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2uwe s LEU 215 Cb -0.16 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2uwe s LEU 215 CO -0.10 -0.04 -0.11 0.42 0.23 0.00 0.00 176.35 176.76 2uwe s THR 216 N 1.52 0.99 0.11 5.49 -4.23 -0.86 -4.97 115.64 113.69 2uwe s THR 216 Ca 0.06 -0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 59.98 2uwe s THR 216 Cb -0.15 -0.88 -0.06 0.00 1.34 0.00 0.00 72.50 72.75 2uwe s THR 216 CO -0.01 0.31 0.49 0.26 -0.54 0.00 0.00 174.62 175.13 2uwe s TRP 217 N 0.28 3.62 -0.00 3.99 0.52 -1.26 -0.54 118.94 125.54 2uwe s TRP 217 Ca -0.06 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.07 2uwe s TRP 217 Cb -0.11 -2.30 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 2uwe s TRP 217 CO 0.01 0.48 -0.10 -0.65 0.02 0.00 0.00 176.95 176.71 2uwe s GLN 218 N -1.85 0.79 -0.24 4.98 -0.21 0.49 -1.53 119.66 122.09 2uwe s GLN 218 Ca 0.35 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 55.34 2uwe s GLN 218 Cb -0.15 -0.76 0.02 0.00 1.00 0.00 0.00 33.01 33.12 2uwe s GLN 218 CO 0.18 0.21 -0.06 0.50 -2.12 0.00 0.00 175.29 174.00 2uwe s ARG 219 N -0.29 2.92 -1.51 2.91 3.52 -0.27 -0.51 118.95 125.72 2uwe s ARG 219 Ca 0.03 -0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 54.66 2uwe s ARG 219 Cb -0.04 -2.99 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 2uwe s ARG 219 CO -0.00 -0.37 0.59 -0.25 -0.81 0.00 0.00 175.30 174.46 2uwe n ASP 220 N 4.69 -5.73 -0.46 -2.12 8.00 -0.52 -1.88 116.55 118.54 2uwe n ASP 220 Ca -0.17 -0.31 -0.06 0.00 0.71 0.00 0.00 54.79 54.97 2uwe n ASP 220 Cb 0.48 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 36.91 2uwe n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uwe n GLY 221 N -1.47 0.83 3.31 0.44 0.00 -1.26 -5.03 105.19 102.01 2uwe n GLY 221 Ca -0.10 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 2uwe n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uwe s GLU 222 N -2.52 3.25 0.12 1.61 0.41 -0.79 -5.08 118.70 115.71 2uwe s GLU 222 Ca 0.00 -0.76 -0.31 0.00 -0.41 0.00 0.00 54.97 53.49 2uwe s GLU 222 Cb 0.00 -2.51 -0.11 0.00 -1.78 0.00 0.00 34.13 29.73 2uwe s GLU 222 CO 0.00 0.19 1.85 -0.25 -0.49 0.00 0.00 175.26 176.56 2uwe n ASP 223 N 3.56 4.09 -4.38 -0.19 8.00 -1.26 -1.11 116.55 125.26 2uwe n ASP 223 Ca -0.18 0.98 -0.34 0.00 0.71 0.00 0.00 54.79 55.96 2uwe n ASP 223 Cb 0.53 -1.55 -0.14 0.00 -0.02 0.00 0.00 41.12 39.94 2uwe n ASP 223 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2uwe s GLN 224 N 2.84 3.44 -0.02 -1.24 -1.52 -0.59 -4.90 119.66 117.67 2uwe s GLN 224 Ca 0.82 -0.64 0.02 0.00 -1.95 0.00 0.00 55.36 53.62 2uwe s GLN 224 Cb -0.47 -2.78 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 2uwe s GLN 224 CO 0.37 0.11 0.02 2.41 -0.25 0.00 0.00 175.29 177.95 2uwe n THR 225 N 3.85 0.14 -0.32 -0.19 -1.04 -1.26 -4.40 114.28 111.06 2uwe n THR 225 Ca -0.18 -0.09 0.01 0.00 -2.04 0.00 0.00 64.05 61.74 2uwe n THR 225 Cb 0.52 -0.71 0.07 0.00 -1.82 0.00 0.00 70.33 68.39 2uwe n THR 225 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2uwe h GLN 226 N 0.00 -0.03 -0.26 -2.82 4.15 -2.00 -1.55 115.11 112.60 2uwe h GLN 226 Ca -0.05 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 2uwe h GLN 226 Cb 0.98 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.60 2uwe h GLN 226 CO 0.00 -0.02 -0.13 -0.25 -1.93 0.00 0.00 178.83 176.50 2uwe n ASP 227 N -5.51 2.51 -4.78 -0.69 8.00 -1.26 -5.02 116.55 109.79 2uwe n ASP 227 Ca 0.11 -3.67 -0.37 0.00 0.71 0.00 0.00 54.79 51.56 2uwe n ASP 227 Cb 0.42 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 2uwe n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2uwe s THR 228 N -3.18 5.19 -0.10 -3.53 2.01 -0.58 -2.72 115.64 112.74 2uwe s THR 228 Ca 0.43 0.72 0.01 0.00 0.31 0.00 0.00 61.69 63.16 2uwe s THR 228 Cb 0.39 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2uwe s THR 228 CO -0.00 0.46 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.66 2uwe s GLU 229 N -0.16 3.01 -0.16 4.92 0.41 0.49 -4.98 118.70 122.23 2uwe s GLU 229 Ca 0.21 -0.65 -0.03 0.00 -0.41 0.00 0.00 54.97 54.09 2uwe s GLU 229 Cb -0.15 -2.57 0.05 0.00 -1.78 0.00 0.00 34.13 29.69 2uwe s GLU 229 CO 0.09 0.43 0.04 -1.17 -0.49 0.00 0.00 175.26 174.16 2uwe s LEU 230 N -0.20 0.83 0.58 1.80 2.96 -1.26 -1.09 118.68 122.29 2uwe s LEU 230 Ca 0.01 -0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 2uwe s LEU 230 Cb -0.13 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 2uwe s LEU 230 CO 0.03 -0.29 1.07 0.68 -1.32 0.00 0.00 176.35 176.51 2uwe s VAL 231 N 1.96 3.69 0.33 1.68 -7.23 -1.22 -5.01 120.40 114.60 2uwe s VAL 231 Ca 0.01 0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 60.76 2uwe s VAL 231 Cb -0.16 -3.36 -0.11 0.00 0.56 0.00 0.00 36.38 33.32 2uwe s VAL 231 CO -0.07 -0.41 1.41 -0.70 -0.31 0.00 0.00 175.10 175.01 2uwe s GLU 232 N -3.85 4.24 0.19 4.82 2.12 -1.26 -4.74 118.70 120.22 2uwe s GLU 232 Ca 0.65 2.38 -0.33 0.00 0.36 0.00 0.00 54.97 58.03 2uwe s GLU 232 Cb -0.17 -3.04 -0.13 0.00 0.26 0.00 0.00 34.13 31.05 2uwe s GLU 232 CO 0.33 -0.37 1.57 2.41 -0.54 0.00 0.00 175.26 178.66 2uwe n THR 233 N 0.96 0.22 -4.60 -1.70 -1.04 -1.26 -4.88 114.28 101.97 2uwe n THR 233 Ca 0.02 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 2uwe n THR 233 Cb 0.40 -1.61 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 2uwe n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2uwe s ARG 234 N 0.64 1.59 0.18 -2.82 1.70 -0.45 -4.96 118.95 114.83 2uwe s ARG 234 Ca 0.76 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 2uwe s ARG 234 Cb -0.64 -1.95 -0.08 0.00 -0.57 0.00 0.00 34.95 31.72 2uwe s ARG 234 CO 0.40 0.48 1.00 -1.25 -1.08 0.00 0.00 175.30 174.85 2uwe s PRO 235 N -1.72 4.71 0.24 3.89 0.04 -1.26 -0.57 135.00 140.33 2uwe s PRO 235 Ca 0.13 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.84 2uwe s PRO 235 Cb -0.10 -3.30 0.22 0.00 0.04 0.00 0.00 34.50 31.35 2uwe s PRO 235 CO 0.05 0.27 1.53 0.00 0.04 0.00 0.00 177.00 178.88 2uwe h ALA 236 N 4.86 0.81 0.00 8.56 0.00 -1.54 -3.46 119.26 128.49 2uwe h ALA 236 Ca -0.44 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2uwe h ALA 236 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2uwe h ALA 236 CO 0.70 0.88 0.00 0.41 0.00 0.00 0.00 179.25 181.24 2uwe n GLY 237 N 0.56 1.28 0.54 0.00 0.00 -1.26 -4.96 105.19 101.34 2uwe n GLY 237 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2uwe n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2uwe n ASP 238 N 0.00 2.62 0.00 1.61 5.75 -1.26 -4.95 116.55 120.33 2uwe n ASP 238 Ca 0.00 -3.33 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 2uwe n ASP 238 Cb 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 2uwe n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uwe n GLY 239 N -1.11 0.89 3.78 6.12 0.00 -1.26 -5.05 105.19 108.56 2uwe n GLY 239 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2uwe n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uwe s THR 240 N -2.80 2.46 0.26 2.61 -4.23 -1.26 -4.85 115.64 107.82 2uwe s THR 240 Ca 0.00 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2uwe s THR 240 Cb 0.00 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2uwe s THR 240 CO 0.00 -0.01 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.61 2uwe s PHE 241 N -2.55 1.96 0.08 3.99 0.40 -0.05 -1.36 117.98 120.45 2uwe s PHE 241 Ca 0.43 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2uwe s PHE 241 Cb 0.01 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 2uwe s PHE 241 CO 0.24 0.37 -0.10 -0.65 0.70 0.00 0.00 175.22 175.79 2uwe s GLN 242 N -3.67 0.77 -0.11 0.44 -0.21 0.27 -2.54 119.66 114.60 2uwe s GLN 242 Ca 0.28 -1.06 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 2uwe s GLN 242 Cb 0.01 -0.47 0.11 0.00 1.00 0.00 0.00 33.01 33.66 2uwe s GLN 242 CO 0.11 0.07 0.89 0.21 -2.12 0.00 0.00 175.29 174.45 2uwe s LYS 243 N -2.50 0.76 0.06 2.91 2.20 -0.47 -1.35 119.74 121.36 2uwe s LYS 243 Ca 0.02 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2uwe s LYS 243 Cb -0.04 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 2uwe s LYS 243 CO -0.00 -0.25 -0.06 1.67 -0.36 0.00 0.00 175.35 176.35 2uwe s TRP 244 N -1.33 0.64 -0.06 4.03 1.48 -1.26 -0.42 118.94 122.02 2uwe s TRP 244 Ca -0.04 -0.72 0.03 0.00 -1.06 0.00 0.00 56.10 54.31 2uwe s TRP 244 Cb -0.00 -0.40 0.01 0.00 -1.16 0.00 0.00 33.47 31.92 2uwe s TRP 244 CO 0.03 -0.17 -0.15 0.00 -4.06 0.00 0.00 176.95 172.60 2uwe s ALA 245 N -2.47 1.44 0.04 2.67 0.00 -0.08 -3.38 121.76 119.98 2uwe s ALA 245 Ca -0.02 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2uwe s ALA 245 Cb -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2uwe s ALA 245 CO -0.03 0.17 -0.19 0.00 0.00 0.00 0.00 175.76 175.72 2uwe s ALA 246 N 0.47 1.59 -0.02 0.00 0.00 -0.25 0.06 121.76 123.61 2uwe s ALA 246 Ca -0.13 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2uwe s ALA 246 Cb -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2uwe s ALA 246 CO 0.04 0.34 -0.09 0.54 0.00 0.00 0.00 175.76 176.59 2uwe s VAL 247 N -0.83 0.77 -0.29 0.00 0.11 -0.47 -0.38 120.40 119.30 2uwe s VAL 247 Ca 0.06 -0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 58.52 2uwe s VAL 247 Cb -0.09 -0.67 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2uwe s VAL 247 CO 0.02 0.24 0.74 -0.69 -3.33 0.00 0.00 175.10 172.07 2uwe s VAL 248 N 0.10 4.85 0.00 2.04 1.01 -1.10 -1.47 120.40 125.83 2uwe s VAL 248 Ca -0.01 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.19 2uwe s VAL 248 Cb -0.07 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2uwe s VAL 248 CO 0.00 -0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.03 2uwe s VAL 249 N 2.82 2.53 0.21 2.92 1.01 0.22 -4.93 120.40 125.18 2uwe s VAL 249 Ca 0.30 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 2uwe s VAL 249 Cb -0.15 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 2uwe s VAL 249 CO 0.11 0.47 1.47 -2.84 0.00 0.00 0.00 175.10 174.31 2uwe s PRO 250 N -1.00 4.26 0.12 2.72 0.02 -1.26 0.65 135.00 140.51 2uwe s PRO 250 Ca 0.12 2.30 -0.35 0.00 0.02 0.00 0.00 61.00 63.09 2uwe s PRO 250 Cb -0.10 -3.13 -0.14 0.00 0.02 0.00 0.00 34.50 31.14 2uwe s PRO 250 CO 0.02 -0.47 1.54 0.43 -0.33 0.00 0.00 177.00 178.19 2uwe n SER 251 N 2.92 2.78 0.00 2.53 7.64 -0.46 -1.57 113.62 127.46 2uwe n SER 251 Ca 0.09 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2uwe n SER 251 Cb 0.40 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2uwe n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2uwe n GLY 252 N 3.28 1.48 1.13 0.23 0.00 -1.26 -4.90 105.19 105.15 2uwe n GLY 252 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2uwe n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2uwe n GLN 253 N -2.00 3.00 -0.22 1.61 6.02 -0.61 -4.73 117.38 120.45 2uwe n GLN 253 Ca 0.00 -2.95 0.01 0.00 -0.01 0.00 0.00 57.00 54.06 2uwe n GLN 253 Cb 0.00 -1.92 0.13 0.00 1.02 0.00 0.00 30.24 29.47 2uwe n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2uwe h GLU 254 N 1.94 0.45 0.00 -1.09 3.07 -1.91 -2.86 114.58 114.18 2uwe h GLU 254 Ca 0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2uwe h GLU 254 Cb 1.62 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2uwe h GLU 254 CO 0.33 0.30 0.00 1.04 -1.40 0.00 0.00 179.01 179.28 2uwe n GLN 255 N -4.97 0.29 0.00 2.33 6.02 -1.26 -2.61 117.38 117.18 2uwe n GLN 255 Ca 0.10 0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.27 2uwe n GLN 255 Cb 0.30 -1.50 0.69 0.00 1.02 0.00 0.00 30.24 30.76 2uwe n GLN 255 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2uwe n ARG 256 N -1.34 0.25 -4.45 -1.09 1.74 -1.08 -4.82 116.66 105.87 2uwe n ARG 256 Ca 0.11 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 2uwe n ARG 256 Cb 0.24 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 2uwe n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2uwe s TYR 257 N -2.74 3.06 -0.01 -1.55 1.51 -1.07 -1.44 117.35 115.11 2uwe s TYR 257 Ca 0.22 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.42 2uwe s TYR 257 Cb 0.19 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2uwe s TYR 257 CO 0.48 0.42 -0.10 0.95 -1.11 0.00 0.00 175.55 176.19 2uwe s THR 258 N -0.89 0.76 -0.17 -0.71 -4.23 0.34 -4.47 115.64 106.27 2uwe s THR 258 Ca 0.14 -0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.16 2uwe s THR 258 Cb -0.11 -0.65 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 2uwe s THR 258 CO 0.03 0.22 0.12 0.00 -0.54 0.00 0.00 174.62 174.46 2uwe s HIS 260 N -0.14 2.79 -0.27 0.00 3.76 0.30 -0.31 115.29 121.43 2uwe s HIS 260 Ca 0.10 -1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 53.86 2uwe s HIS 260 Cb -0.11 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2uwe s HIS 260 CO 0.00 -0.51 0.04 0.08 -0.85 0.00 0.00 174.74 173.50 2uwe s VAL 261 N 0.91 3.76 -0.18 -0.90 1.01 -0.35 -2.02 120.40 122.63 2uwe s VAL 261 Ca -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2uwe s VAL 261 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2uwe s VAL 261 CO -0.02 0.19 -0.05 -1.10 0.00 0.00 0.00 175.10 174.13 2uwe s GLN 262 N 1.49 3.51 -0.10 2.72 -0.21 -0.59 -1.83 119.66 124.64 2uwe s GLN 262 Ca 0.03 -0.59 -0.23 0.00 0.02 0.00 0.00 55.36 54.59 2uwe s GLN 262 Cb -0.16 -2.91 0.05 0.00 1.00 0.00 0.00 33.01 30.99 2uwe s GLN 262 CO 0.01 0.05 0.55 -1.58 -2.12 0.00 0.00 175.29 172.20 2uwe s HIS 263 N 0.84 -0.53 0.46 0.91 2.46 -1.26 -1.98 115.29 116.19 2uwe s HIS 263 Ca -0.01 1.05 0.12 0.00 0.47 0.00 0.00 55.06 56.68 2uwe s HIS 263 Cb -0.15 0.26 1.06 0.00 -0.13 0.00 0.00 32.58 33.63 2uwe s HIS 263 CO 0.01 -0.45 2.09 1.49 -2.47 0.00 0.00 174.74 175.41 2uwe h GLU 264 N 4.00 0.21 0.00 2.88 4.81 -1.93 -1.24 114.58 123.31 2uwe h GLU 264 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2uwe h GLU 264 Cb 1.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2uwe h GLU 264 CO 0.31 0.17 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 2uwe n GLY 265 N -1.42 -1.27 3.67 1.92 0.00 -1.26 -4.73 105.19 102.10 2uwe n GLY 265 Ca -0.01 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2uwe n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uwe s LEU 266 N -2.86 4.15 0.25 0.99 1.02 -0.47 -4.58 118.68 117.18 2uwe s LEU 266 Ca 0.16 0.51 -0.02 0.00 0.02 0.00 0.00 54.13 54.80 2uwe s LEU 266 Cb 0.16 -2.52 0.31 0.00 0.02 0.00 0.00 46.19 44.17 2uwe s LEU 266 CO 0.43 -0.09 1.72 -0.65 0.02 0.00 0.00 176.35 177.78 2uwe h PRO 267 N 7.42 0.74 -4.24 1.29 0.11 -1.84 -3.44 132.00 132.03 2uwe h PRO 267 Ca -0.36 -0.23 -0.29 0.00 0.11 0.00 0.00 66.00 65.24 2uwe h PRO 267 Cb 1.16 -0.07 -0.26 0.00 0.11 0.00 0.00 31.00 31.94 2uwe h PRO 267 CO 0.71 0.81 -0.74 0.15 -0.21 0.00 0.00 178.00 178.72 2uwe s LYS 268 N -4.82 0.36 0.29 1.05 1.02 -1.26 -5.13 119.74 111.24 2uwe s LYS 268 Ca -0.09 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 2uwe s LYS 268 Cb 0.14 -0.28 -0.12 0.00 -0.52 0.00 0.00 37.83 37.05 2uwe s LYS 268 CO 0.81 0.07 1.45 -2.30 -0.92 0.00 0.00 175.35 174.46 2uwe n PRO 269 N 2.57 2.31 -3.08 -1.68 -0.02 -1.26 -4.97 135.00 128.86 2uwe n PRO 269 Ca -0.16 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 2uwe n PRO 269 Cb 0.58 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 2uwe n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2uwe s LEU 270 N -0.43 4.55 -0.16 2.45 1.43 -0.76 -4.90 118.68 120.85 2uwe s LEU 270 Ca 0.63 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 2uwe s LEU 270 Cb -0.57 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.44 2uwe s LEU 270 CO 0.53 0.21 -0.14 -0.89 0.23 0.00 0.00 176.35 176.29 2uwe s THR 271 N -1.17 2.78 -0.10 5.49 2.01 -1.26 -1.21 115.64 122.18 2uwe s THR 271 Ca 0.34 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.64 2uwe s THR 271 Cb -0.21 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2uwe s THR 271 CO 0.24 0.51 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.72 2uwe s LEU 272 N 0.85 2.38 0.04 4.42 1.02 0.58 -4.95 118.68 123.02 2uwe s LEU 272 Ca -0.04 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.74 2uwe s LEU 272 Cb -0.15 -1.49 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 2uwe s LEU 272 CO -0.00 0.19 -0.18 -0.60 0.02 0.00 0.00 176.35 175.78 2uwe s ARG 273 N 0.17 1.18 0.27 1.70 3.52 -1.26 -0.72 118.95 123.81 2uwe s ARG 273 Ca -0.11 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.34 2uwe s ARG 273 Cb -0.16 -1.25 -0.10 0.00 -1.56 0.00 0.00 34.95 31.89 2uwe s ARG 273 CO 0.06 0.32 1.26 -0.46 -0.81 0.00 0.00 175.30 175.67 2uwe s TRP 274 N -0.82 3.24 0.00 5.12 -0.11 -1.26 -5.03 118.94 120.08 2uwe s TRP 274 Ca 0.05 1.40 0.00 0.00 1.22 0.00 0.00 56.10 58.77 2uwe s TRP 274 Cb -0.08 -3.56 0.00 0.00 -1.50 0.00 0.00 33.47 28.32 2uwe s TRP 274 CO 0.02 -1.58 0.46 0.39 -4.62 0.00 0.00 176.95 171.62